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BioLiP

PDB CCD ID: GNE
Number of entries in BioLiP: 0
Chemical formula: C12 H14 N5 O7 P
InChI: InChI=1S/C12H14N5O7P/c18-6-3-8(24-7(6)4-23-25(20,21)22)17-5-14-9-10(17)15-12-13-1-2-16(12)11(9)19/h1-2,5-8,18H,3-4H2,(H,13,15)(H2,20,21,22)/t6-,7+,8+/m0/s1
InChIKey: NCYIUPASQWXGPJ-XLPZGREQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O
ACDLabs 10.04O=C2c3ncn(c3N=C1NC=CN12)C4OC(C(O)C4)COP(=O)(O)O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CNC4=Nc23
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CNC4=Nc23
Name:1,N2-ETHENOGUANINE
ZINC: ZINC000103543413
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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